S724-0666 Screening compound: 1-{3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one

S724-0666 Screening compound: 1-{3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one
S724-0666 Screening compound: 1-{3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0666
1-{3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S724-0666

Molecular Formula

C19H23N5O4 (C19 H23 N5 O4)

Compound Name

1-{3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one

IUPAC name

1-{3-[4-(morpholine-4-carbonyl)-1H-123-triazol-1-yl]azetidin-1-yl}-2-phenoxypropan-1-one

SMILES

CC(C(N(C1)CC1n1nnc(C(N2CCOCC2)=O)c1)=O)Oc1ccccc1

InChI

InChI=1S/C19H23N5O4/c1-14(28-16-5-3-2-4-6-16)18(25)23-11-15(12-23)24-13-17(20-21-24)19(26)22-7-9-27-10-8-22/h2-6,13-15H,7-12H2,1H3/t14-/m0/s1

InChI Key

ASLIPYPCHGLULJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31994677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.263

Distribution Coefficient, logD

0.263

Water Solubility, LogSw

-1.07

Polar Surface Area

74.437

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S724-0666 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S724-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0666?
Check Price and Availability of S724-0666, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S724-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0666
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S724-0666 available by request